Fumarate hydratase-IN-2 sodium salt

• CAT Number: I046368
• CAS Number: 2070009-45-7
• Molecular Formula: C25H25N2NaO4
• Molecular Weight: 440.47
• Purity: ≥95%
• Synonyms: sodium;(3S,3aR)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-1-[(4-phenylphenyl)methyl]-3,4,5,6-tetrahydroindole-3a-carboxylate
• InChI: InChI=1S/C25H26N2O4.Na/c1-26-22(28)15-20-23(29)27(21-9-5-6-14-25(20,21)24(30)31)16-17-10-12-19(13-11-17)18-7-3-2-4-8-18;/h2-4,7-13,20H,5-6,14-16H2,1H3,(H,26,28)(H,30,31);/q;+1/p-1/t20-,25-;/m1./s1
• InChIKey: KOACFUAVCMBNNV-RGFBGPCLSA-M
• SMILES: CNC(=O)CC1C(=O)N(C2=CCCCC12C(=O)[O-])CC3=CC=C(C=C3)C4=CC=CC=C4.[Na+]

Fumarate hydratase-IN-2 sodium salt (compound 3) is a cell-permeable and competitive fumarate hydratase inhibitor (Ki=4.5 μM) with nutrient-dependent cytotoxicity [1].

Reference

[1]. Takeuchi T et al. Identification of fumarate hydratase inhibitors with nutrient-dependent cytotoxicity. J Am Chem Soc. 2015 Jan 21;137(2):564-7.
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